3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid

C12H7ClN2O3 — CID 117142717

IUPAC3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2cnc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C12H7ClN2O3/c13-10-5-4-9(18-10)11-14-6-7-2-1-3-8(12(16)17)15(7)11/h1-6H,(H,16,17)
InChIKeyZVQUCHUPSHBEJL-UHFFFAOYSA-N
MW262.65 g/mol
LogP2.95
Rot. Bonds2

About 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid

3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117142717) has the molecular formula C12H7ClN2O3 and a molecular weight of 262.65 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117142717
Molecular FormulaC12H7ClN2O3
Molecular Weight262.65 g/mol
Exact Mass262.01
IUPAC Name3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2cnc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C12H7ClN2O3/c13-10-5-4-9(18-10)11-14-6-7-2-1-3-8(12(16)17)15(7)11/h1-6H,(H,16,17)
InChIKeyZVQUCHUPSHBEJL-UHFFFAOYSA-N
XLogP2.95
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid (CID 117142717) is 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2cnc(-c3ccc(Cl)o3)n12.
What is the InChIKey of 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is ZVQUCHUPSHBEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3/c13-10-5-4-9(18-10)11-14-6-7-2-1-3-8(12(16)17)15(7)11/h1-6H,(H,16,17).
What are the key properties of 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 262.65 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117142717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).